SCHEMBL6310027

SCHEMBL6310027

CC(=O)Oc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.79
SRD5A2 P31213 4/20 0.63
ELANE P08246 1/20 0.63
PARP15 Q460N3 1/20 0.60
PARP10 Q53GL7 1/20 0.60
RAB9A P51151 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 3/20 0.56
GAA P10253 3/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10455915 1.00 HSD17B10 (0.79) HSD17B10SRD5A2ELANEPARP15PARP10
SCHEMBL40184 0.94 HSD17B10 (0.88) HSD17B10SRD5A2ELANERAB9AMAPT
SCHEMBL7026750 0.92 HSD17B10 (0.85) HSD17B10SRD5A2ELANERAB9AMAPT
Methane SCHEMBL7956977 0.92 HSD17B10 (0.85) HSD17B10SRD5A2ELANERAB9AMAPT
Hydrochloric Acid SCHEMBL1374059 0.92 HSD17B10 (0.85) HSD17B10SRD5A2ELANERAB9AMAPT
SCHEMBL11028806 0.90 HSD17B10 (0.81) HSD17B10SRD5A2ELANERAB9AMAPT
Propane SCHEMBL28675522 0.88 HSD17B10 (0.79) HSD17B10ELANERAB9AMAPTLMNA
SCHEMBL2886930 0.88 HSD17B10 (1.00) HSD17B10ELANERAB9AMAPTLMNA
SCHEMBL9702108 0.88 HSD17B10 (0.62) HSD17B10SRD5A2ELANEPARP15PARP10
SCHEMBL9760958 0.87 LMNA (0.70) HSD17B10ELANERAB9AMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
EP-1381603-A2 QUINUCLIDINE-SUBSTITUEDARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2004-01-21 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-6492386-B2 TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US disclosed
US-6479510-B2 N-((2S,3R)-2-METHYL-1-AZABICYCLO(2.2.2)OCT-3-YL)-4-(4-HYDROXYP HENOXY)- BENZAMIDE FOR EXAMPLE; TREATING DISEASES OF THE ALPHA-7-NICOTINIC ACETYLCHOLINE RECEPTOR I.E. SCHIZOPHRENIA, OR PSYCHOSIS PHARMACIA & UPJOHN COMPANY 2002-11-12 US disclosed
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated PHARMACIA & UPJOHN COMPANY 2002-05-02 US disclosed
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-25 US disclosed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US disclosed
WO-2002016356-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016358-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
US-5138021-A High melting, anisotropic, excellent mechanical properties ATOCHEM (FR) 1992-08-11 US disclosed
US-4946926-A INJECTION MOLDED ARTICLE, FIBER OR FILM OF A POLYLACTONE THE DOW CHEMICAL COMPANY (US) 1990-08-07 US disclosed
US-4945150-A Melt processable thermotropic aromatic copolyester derived from hydroxy phenoxy benzoic acids and hydroxy benzoic acid THE DOW CHEMICAL COMPANY (US) 1990-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 HSD17B10 407/4885SRD5A2 408/4885ELANE 1424/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 HSD17B10 407/4885SRD5A2 408/4885ELANE 1424/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 HSD17B10 801/4885SRD5A2 819/4885ELANE 1172/4885
US-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 HSD17B10 183/4885SRD5A2 102/4885ELANE 862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.